1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol

C14H15ClO2 — CID 106693567

IUPAC1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H15ClO2/c1-9-5-10(2)7-11(6-9)8-12(16)13-3-4-14(15)17-13/h3-7,12,16H,8H2,1-2H3
InChIKeyVOOFXJDQLCOWBR-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.83
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol

1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol (PubChem CID 106693567) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
PubChem CID106693567
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2ccc(Cl)o2)c1
InChIInChI=1S/C14H15ClO2/c1-9-5-10(2)7-11(6-9)8-12(16)13-3-4-14(15)17-13/h3-7,12,16H,8H2,1-2H3
InChIKeyVOOFXJDQLCOWBR-UHFFFAOYSA-N
XLogP3.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol (CID 106693567) is 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(CC(O)c2ccc(Cl)o2)c1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is VOOFXJDQLCOWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-9-5-10(2)7-11(6-9)8-12(16)13-3-4-14(15)17-13/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol?
1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 250.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 106693567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).